methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate

C24H26N4O4 — CID 155549687

IUPACmethyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc3ccc(C)cn3c2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H26N4O4/c1-15-8-13-19-26-21(27-22(29)16-9-11-17(12-10-16)24(31)32-2)20(28(19)14-15)23(30)25-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyHVGJLTSCEPIILS-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.74
Rot. Bonds5

About methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate

methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate (PubChem CID 155549687) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate
PubChem CID155549687
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Namemethyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc3ccc(C)cn3c2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H26N4O4/c1-15-8-13-19-26-21(27-22(29)16-9-11-17(12-10-16)24(31)32-2)20(28(19)14-15)23(30)25-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyHVGJLTSCEPIILS-UHFFFAOYSA-N
XLogP3.74
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate (CID 155549687) is methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2nc3ccc(C)cn3c2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate?
The InChIKey is HVGJLTSCEPIILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15-8-13-19-26-21(27-22(29)16-9-11-17(12-10-16)24(31)32-2)20(28(19)14-15)23(30)25-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,25,30)(H,27,29).
What are the key properties of methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate?
methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate has a molecular weight of 434.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate is sourced from PubChem (CID 155549687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).